N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile

C37H20F9N11 — CID 146432642

IUPACN-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
SMILESFc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1.N#Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C19H10F4N6.C18H10F5N5/c20-12-3-6-16-28-18(19(21,22)23)17(29(16)10-12)14-8-25-9-15(27-14)26-13-4-1-11(7-24)2-5-13;19-10-1-4-12(5-2-10)25-14-8-24-7-13(26-14)16-17(18(21,22)23)27-15-6-3-11(20)9-28(15)16/h1-6,8-10H,(H,26,27);1-9H,(H,25,26)
InChIKeySGIIOIZMGKUGCO-UHFFFAOYSA-N
MW789.63 g/mol
LogP9.40
Rot. Bonds6

About N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile

N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile (PubChem CID 146432642) has the molecular formula C37H20F9N11 and a molecular weight of 789.63 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
PubChem CID146432642
Molecular FormulaC37H20F9N11
Molecular Weight789.63 g/mol
Exact Mass789.18
IUPAC NameN-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile
SMILESFc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1.N#Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1
InChIInChI=1S/C19H10F4N6.C18H10F5N5/c20-12-3-6-16-28-18(19(21,22)23)17(29(16)10-12)14-8-25-9-15(27-14)26-13-4-1-11(7-24)2-5-13;19-10-1-4-12(5-2-10)25-14-8-24-7-13(26-14)16-17(18(21,22)23)27-15-6-3-11(20)9-28(15)16/h1-6,8-10H,(H,26,27);1-9H,(H,25,26)
InChIKeySGIIOIZMGKUGCO-UHFFFAOYSA-N
XLogP9.40
TPSA134.01 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.63
LogP ≤ 59.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The IUPAC name of N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile (CID 146432642) is N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile.
What is the SMILES notation for N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The canonical SMILES for N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile is Fc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1.N#Cc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccc(F)cn34)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
The InChIKey is SGIIOIZMGKUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N6.C18H10F5N5/c20-12-3-6-16-28-18(19(21,22)23)17(29(16)10-12)14-8-25-9-15(27-14)26-13-4-1-11(7-24)2-5-13;19-10-1-4-12(5-2-10)25-14-8-24-7-13(26-14)16-17(18(21,22)23)27-15-6-3-11(20)9-28(15)16/h1-6,8-10H,(H,26,27);1-9H,(H,25,26).
What are the key properties of N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile?
N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile has a molecular weight of 789.63 g/mol, XLogP of 9.40, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;4-[[6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]benzonitrile is sourced from PubChem (CID 146432642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).